7XQA

Orf1-glycine complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-13
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	103.386, 107.803, 134.754
Unit cell angles	89.85, 89.99, 83.58

Refinement procedure

Resolution	29.718 - 1.930
Rwork	0.192
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ng3
RMSD bond length	0.007
RMSD bond angle	1.371
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.000
High resolution limit [Å]	1.930	4.150	1.930
Rmerge	0.043	0.028	0.280
Rmeas	0.048	0.031	0.311
Rpim	0.021	0.014	0.135
Total number of observations	2253992
Number of reflections	424903	43112	41887
<I/σ(I)>	35.8		5.9
Completeness [%]	97.9	99.4	96.5
Redundancy	5.3	5.3	5.3
CC(1/2)		0.998	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M Tris-HCl pH8.5, 0.2 M KBr, 8 % PEG 550 MME and 8 % PEG 20000