2PGY

GTB C209A, no Hg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2006-05-27
Detector	RIGAKU RAXIS IV
Spacegroup name	C 2 2 21
Unit cell lengths	53.390, 151.850, 80.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.500 - 2.390
R-factor	0.172
Rwork	0.168
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	GTB
RMSD bond length	0.012
RMSD bond angle	1.341
Data reduction software	d*TREK
Data scaling software	d*TREK (9.4SSI)
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.500	19.500	2.480
High resolution limit [Å]	2.390	5.120	2.390
Rmerge	0.075	0.036	0.273
Total number of observations		5715	5670
Number of reflections	12774
<I/σ(I)>	11.5	28.5	3.8
Completeness [%]	96.0	92.2	95.6
Redundancy	4.43	4.35	4.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1