2JJ0

PHOTOSYNTHETIC REACTION CENTER MUTANT WITH ALA M248 REPLACED WITH TRP (CHAIN M, AM248W)

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
Detector	ADSC CCD
Spacegroup name	P 31 2 1
Unit cell lengths	139.810, 139.810, 185.153
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.900 - 2.800
R-factor	0.205
Rwork	0.203
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WILD-TYPE RHODOBACTER SPHAEROIDES COORDINATES UNPUBLISHED DATA
RMSD bond length	0.013
RMSD bond angle	1.462
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.080	0.530
Number of reflections	52142
<I/σ(I)>	11.8	1.7
Completeness [%]	98.9	99.4
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1