5LSE

PHOTOSYNTHETIC REACTION CENTER MUTANT WITH Glu L212 replaced with Ala (CHAIN L, EL212W), Asp L213 replaced with ALA (Chain L, DL213A) AND LEU M215 REPLACED WITH ALA (CHAIN M, LM215A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-11
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.977
Spacegroup name	P 31 2 1
Unit cell lengths	138.993, 138.993, 184.711
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.900 - 2.500
R-factor	0.16934
Rwork	0.168
R-free	0.20118
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WILD TYPE RHODOBACTER SPHAEROIDES COORDINATES (Unpublished data)
RMSD bond length	0.015
RMSD bond angle	1.836
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.900	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.070	0.530
Number of reflections	70501
<I/σ(I)>	16	2.7
Completeness [%]	98.4	97.9
Redundancy	5.1	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Well containing 9 mg mL-1 RC, 0.09 % v/v LDAO, 3.5 % w/v 1,2,3-heptanetriol, and 0.75 M potassium phosphate (pH 7.5) equilibrated against 1.5 M potassium phosphate