5BRL

Crystal Structure of L124D STARD4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 1 21 1
Unit cell lengths	47.379, 41.683, 121.464
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	39.426 - 2.003
R-factor	0.19
Rwork	0.188
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jss
RMSD bond length	0.007
RMSD bond angle	1.050
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.065	0.031	0.187
Total number of observations	65905
Number of reflections	26090
<I/σ(I)>	13.6
Completeness [%]	80.6	72.6	84.9
Redundancy	2.5	2.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	277	0.1 M MES pH 6.2, 2.2 M ammonium sulfate